N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride

C18H26BrClN2O2 — CID 119776313

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(Br)cc1CN(C(=O)CNCC1CC1)C1CC1.Cl
InChIInChI=1S/C18H25BrN2O2.ClH/c1-2-23-17-8-5-15(19)9-14(17)12-21(16-6-7-16)18(22)11-20-10-13-3-4-13;/h5,8-9,13,16,20H,2-4,6-7,10-12H2,1H3;1H
InChIKeyJIGCTTOYUBPNGJ-UHFFFAOYSA-N
MW417.78 g/mol
LogP3.76
Rot. Bonds9

About N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119776313) has the molecular formula C18H26BrClN2O2 and a molecular weight of 417.78 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119776313
Molecular FormulaC18H26BrClN2O2
Molecular Weight417.78 g/mol
Exact Mass416.09
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCCOc1ccc(Br)cc1CN(C(=O)CNCC1CC1)C1CC1.Cl
InChIInChI=1S/C18H25BrN2O2.ClH/c1-2-23-17-8-5-15(19)9-14(17)12-21(16-6-7-16)18(22)11-20-10-13-3-4-13;/h5,8-9,13,16,20H,2-4,6-7,10-12H2,1H3;1H
InChIKeyJIGCTTOYUBPNGJ-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide
CID 119776314
3-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylbutanamide;hydrochloride
CID 119776317
2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
CID 119319329
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 119776320
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(cyclopropylmethylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116557746
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119776313) is N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride is CCOc1ccc(Br)cc1CN(C(=O)CNCC1CC1)C1CC1.Cl.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is JIGCTTOYUBPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2.ClH/c1-2-23-17-8-5-15(19)9-14(17)12-21(16-6-7-16)18(22)11-20-10-13-3-4-13;/h5,8-9,13,16,20H,2-4,6-7,10-12H2,1H3;1H.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 417.78 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropyl-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119776313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).